2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid

C14H14N2O4S — CID 60831299

IUPAC2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1nc(C)c(C(=O)N(CC(=O)O)c2ccc(O)cc2)s1
InChIInChI=1S/C14H14N2O4S/c1-8-13(21-9(2)15-8)14(20)16(7-12(18)19)10-3-5-11(17)6-4-10/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyWYTUKKXOZKRDTF-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.20
Rot. Bonds4

About 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid

2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid (PubChem CID 60831299) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid
PubChem CID60831299
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1nc(C)c(C(=O)N(CC(=O)O)c2ccc(O)cc2)s1
InChIInChI=1S/C14H14N2O4S/c1-8-13(21-9(2)15-8)14(20)16(7-12(18)19)10-3-5-11(17)6-4-10/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyWYTUKKXOZKRDTF-UHFFFAOYSA-N
XLogP2.20
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid (CID 60831299) is 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid is Cc1nc(C)c(C(=O)N(CC(=O)O)c2ccc(O)cc2)s1.
What is the InChIKey of 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid?
The InChIKey is WYTUKKXOZKRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-13(21-9(2)15-8)14(20)16(7-12(18)19)10-3-5-11(17)6-4-10/h3-6,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid?
2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 60831299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).